Geometry & MOs

Info

ID:	282407
PubChem CID:	103925809
Reduced:	BrNF2O3H8C14 (1)
Stoich.:	ABC2D3E8F14 (1)
Weight, g/mol:	329.00628
ΔH_f, kcal/mol:	-159.44
Dipole, Da:	6.09
IP(EA), eV:	-9.73(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-bromo-4-fluorobenzoyl)amino]-2-cyclopropylpropanoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)O)NC(=O)C2=CC(=C(C=C2)F)Br)F

DOS

IR

Vibrations